SCHEMBL9280838

SCHEMBL9280838

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(Br)ccc1OCC(=O)NCCO[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.48
▸ MAPT P10636 4/20 0.47
▸ LMNA P02545 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ ADORA3 P0DMS8 4/20 0.43
▸ CYP1A2 P05177 4/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HIF1A Q16665 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ABCC4 O15439 2/20 0.43
▸ CACNA1F O60840 2/20 0.43
▸ ABCB11 O95342 2/20 0.43
▸ ADORA2A P29274 2/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ OPRM1 P35372 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7400294 0.92 MAPT (0.46) HPGDMAPTLMNASMN1; SMN2ADORA3
SCHEMBL7593821 0.89 ADORA3 (0.47) HPGDMAPTLMNASMN1; SMN2ADORA3
SCHEMBL7365604 0.88 MAPT (0.52) HPGDMAPTLMNASMN1; SMN2ADORA3
SCHEMBL7391021 0.87 ADORA3 (0.53) HPGDMAPTLMNASMN1; SMN2ADORA3
SCHEMBL7543877 0.83 MAPT (0.49) HPGDMAPTLMNAADORA3CYP1A2
SCHEMBL7390505 0.80 MAPT (0.56) MAPTHSD17B10KDM4ETSHRPOLB
SCHEMBL7361981 0.79 CYP2C9 (0.46) HPGDMAPTLMNASMN1; SMN2ADORA3
SCHEMBL7508983 0.78 HIF1A (0.52) MAPTLMNACYP1A2CYP3A4CYP2C9
SCHEMBL7406051 0.76 ADORA3 (0.53) HPGDMAPTLMNASMN1; SMN2ADORA3
SCHEMBL7567774 0.75 ADORA3 (0.51) HPGDMAPTLMNASMN1; SMN2RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378718-A Cardiovascular activity, hypotensive CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-03 — — US disclosed
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